Vitas-M small molecule compound
(3S,4R)-N-(1,3-benzodioxol-5-ylmethyl)-4-[(2-methoxy-5-methylphenyl)sulfonyl]tetrahydrothiophen-3-amine 1,1-dioxide
Catalog ID
STK634302
SMILES COc1ccc(cc1S(=O)(=O)[C@H]1CS(=O)(=O)C[C@@H]1NCc1ccc2c(c1)OCO2)C
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We supply compounds in quantities from 1 mg up to 5 g for research and development purposes only.
We do not supply quantities above 5 g.
Structure and other identifiers
2D representation rendered from the SMILES, with core physicochemical data.Formula C20H23NO7S2 MW 453.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H23NO7S2/c1-13-3-5-17(26-2)19(7-13)30(24,25)20-11-29(22,23)10-15(20)21-9-14-4-6-16-18(8-14)28-12-27-16/h3-8,15,20-21H,9-12H2,1-2H3/t15-,20-/m0/s1InChIKey
QHJUBAGTPQYADF-YWZLYKJASA-NSynonyms
1176649-23-2(3S4R)3((benzo(d)(13)dioxol5ylmethyl)amino)4((2methoxy5methylphenyl)sulfonyl)tetrahydrothiophene11dioxide
(3S4R)N(13benzodioxol5ylmethyl)4((2methoxy5methylphenyl)sulfonyl)tetrahydrothiophen3amine11dioxide
(3S4R)N(13benzodioxol5ylmethyl)4(2methoxy5methylphenyl)sulfonyl11dioxothiolan3amine
1176649232
CC1=CC(=C(C=C1)OC)S(=O)(=O)C2CS(=O)(=O)CC2NCC3=CC4=C(C=C3)OCO4
COc1ccc(cc1S(=O)(=O)(C@H)1CS(=O)(=O)C(C@@H)1NCc1ccc2c(c1)OCO2)C
InChI=1SC20H23NO7S2c1133517(262)19(713)30(2425)201129(2223)1015(20)21914461618(814)28122716h38152021H912H212H3t1520m0s1
MFCD18246587
ZINC000054093196
ZINC54093196
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